Searched refs:build_dftb_overlap (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_tb_methods.F | 52 USE qs_dftb_matrices, ONLY: build_dftb_overlap 161 CALL build_dftb_overlap(qs_env, 0, matrix_s) 278 CALL build_dftb_overlap(qs_env, 0, matrix_s) 379 CALL build_dftb_overlap(qs_env, 0, matrix_s) 655 CALL build_dftb_overlap(qs_env, 1, matrix_s) 899 CALL build_dftb_overlap(qs_env, 1, matrix_s)
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H A D | qs_dftb_matrices.F | 85 PUBLIC :: build_dftb_matrices, build_dftb_ks_matrix, build_dftb_overlap 669 SUBROUTINE build_dftb_overlap(qs_env, nderivative, matrix_s) subroutine 870 END SUBROUTINE build_dftb_overlap
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_tb_methods.F | 52 USE qs_dftb_matrices, ONLY: build_dftb_overlap 161 CALL build_dftb_overlap(qs_env, 0, matrix_s) 278 CALL build_dftb_overlap(qs_env, 0, matrix_s) 379 CALL build_dftb_overlap(qs_env, 0, matrix_s) 655 CALL build_dftb_overlap(qs_env, 1, matrix_s) 899 CALL build_dftb_overlap(qs_env, 1, matrix_s)
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H A D | qs_dftb_matrices.F | 85 PUBLIC :: build_dftb_matrices, build_dftb_ks_matrix, build_dftb_overlap 669 SUBROUTINE build_dftb_overlap(qs_env, nderivative, matrix_s) subroutine 870 END SUBROUTINE build_dftb_overlap
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | rt_propagation.F | 49 USE qs_dftb_matrices, ONLY: build_dftb_overlap 210 CALL build_dftb_overlap(qs_env, 1, matrix_s)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | rt_propagation.F | 49 USE qs_dftb_matrices, ONLY: build_dftb_overlap 212 CALL build_dftb_overlap(qs_env, 1, matrix_s)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/ |
H A D | rt_propagation_utils.F | 44 USE qs_dftb_matrices, ONLY: build_dftb_overlap 137 CALL build_dftb_overlap(qs_env, nder, s_derivs)
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/dports/science/cp2k-data/cp2k-7.1.0/src/emd/ |
H A D | rt_propagation_utils.F | 44 USE qs_dftb_matrices, ONLY: build_dftb_overlap 137 CALL build_dftb_overlap(qs_env, nder, s_derivs)
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